SCHEMBL9520753

SCHEMBL9520753

CC/C(=C/OC(C)=O)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
FFAR3 O14843 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GRIK1 P39086 1/20 0.31
GRIK2 Q13002 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9520763 1.00 ALDH1A1 (0.33) ALDH1A1FFAR3TSHRTDP1LMNA
SCHEMBL28421065 0.83 FFAR3 (0.37) ALDH1A1FFAR3TSHRLMNAHSD17B10
SCHEMBL18092840 0.80 ALDH1A1 (0.38) ALDH1A1TSHRTDP1LMNAHSD17B10
SCHEMBL370148 0.79 MGAM (0.41) ALDH1A1TDP1
SCHEMBL28238687 0.77 ALDH1A1 (0.44) ALDH1A1TSHRLMNAHSD17B10
SCHEMBL9259007 0.76
SCHEMBL7869619 0.75
SCHEMBL7869622 0.75
SCHEMBL3555075 0.74 FFAR3 (0.35) ALDH1A1FFAR3TSHRGRIK1GRIK2
SCHEMBL27044 0.74 FFAR3 (0.35) ALDH1A1FFAR3TSHRGRIK1GRIK2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5216141-A OLIGONUCLEOTIDE ANALOGS CONTAINING SULFUR LINKAGES BENNER, STEVEN 1993-06-01 US disclosed
EP-0418309-A4 OLIGONUCLEOTIDE ANALOGS CONTAINING SULFUR 1993-01-07 EP disclosed
EP-0418309-A1 OLIGONUCLEOTIDE ANALOGS CONTAINING SULFUR BENNER, Steven Albert (CH) 1991-03-27 EP disclosed
WO-1989012060-A1 OLIGONUCLEOTIDE ANALOGS CONTAINING SULFUR BENNER STEVEN ALBERT (CH) 1989-12-14 WO disclosed